Maleic Acid

Maleic Acid

SCHEMBL7815865

N#Cc1cccn1-c1cccc(C(=O)N=C(N)N)c1.O=C(O)/C=C\C(=O)O

nearest known ligand 0.40

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ACEADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2BTKCACNA1CCACNA1DCACNA1FCACNA1SCCR5CPT1BCPT2DPP4DRD1DRD2EGFRERBB2ERBB4HRH1HRH3HTR1AHTR2AHTR2BHTR2CHTR4JAK1JAK2JAK3MPLMTORPPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PPARGSLC6A2SLC6A3SLC6A4SMOTYK2pol

The experimentally established mechanism targets of Maleic Acid. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2B known ✓ P41595 2/20 0.33
POLB P06746 8/20 0.40
L3MBTL1 Q9Y468 7/20 0.40
APEX1 P27695 6/20 0.40
TDP1 Q9NUW8 6/20 0.40
RECQL P46063 5/20 0.40
MAPT P10636 5/20 0.40
CTDSP1 Q9GZU7 3/20 0.40
NSD2 O96028 1/20 0.40
NR4A1 P22736 1/20 0.40
MAPK1 P28482 1/20 0.40
PTPN7 P35236 1/20 0.40
HSD17B10 Q99714 1/20 0.40
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
SLC9A1 P19634 6/20 0.37
ALDH1A1 P00352 3/20 0.35
KDM4E B2RXH2 2/20 0.35
CYP2C9 P11712 3/20 0.35
CYP2C19 P33261 3/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Fumaric Acid SCHEMBL7822728 1.00 POLB (0.40) POLBL3MBTL1APEX1TDP1RECQL
Fumaric Acid SCHEMBL7815875 1.00 POLB (0.40) POLBL3MBTL1APEX1TDP1RECQL
SCHEMBL1388176 0.93 POLB (0.40) POLBL3MBTL1APEX1TDP1RECQL
Hydrochloric Acid SCHEMBL7831304 0.92 HTR2B (0.39) POLBL3MBTL1APEX1TDP1RECQL
SCHEMBL7827018 0.87 SLC9A1 (0.44) SLC9A1
Citric Acid SCHEMBL27403231 0.83 POLB (0.34) POLBL3MBTL1APEX1TDP1RECQL
SCHEMBL1388003 0.83 SLC9A1 (0.38) SLC9A1CYP2C9CYP2C19CYP3A4HTR2B
SCHEMBL7828105 0.82 SLC9A1 (0.35) POLBL3MBTL1APEX1TDP1RECQL
SCHEMBL7815872 0.81 POLB (0.35) POLBL3MBTL1APEX1TDP1RECQL
SCHEMBL7822733 0.81 POLB (0.35) POLBL3MBTL1APEX1TDP1RECQL

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0699185-B1 GUANIDINE DERIVATIVES AS INHIBITORS OF Na+ /H+ EXCHANGE IN CELLS FUJISAWA PHARMACEUTICAL CO (JP) 2001-09-05 EP disclosed
WO-1994026709-A1 GUANIDINE DERIVATIVES AS INHIBITORS OF Na+/H+ EXCHANGE IN CELLS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1994-11-24 WO disclosed